============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 20 1.000 -17.814 48.251 14.076 -99.200 -91.000 HIS 22 0.900 -18.352 51.796 10.984 -99.200 -91.000 HIS 25 0.900 -19.421 50.516 17.847 -99.200 -91.000 HIS 34 0.900 -11.790 52.634 10.583 -99.200 -91.000 HIS 35 0.900 -4.028 51.645 14.184 -99.200 -91.000 TYR 43 0.840 -10.824 56.625 7.788 -99.200 -91.000 HIS 52 0.900 -3.734 44.996 13.465 -99.200 -91.000 TYR 65 0.840 -9.294 35.425 19.595 -99.200 -91.000 TYR 66 0.840 -2.831 40.710 21.677 -99.200 -91.000 HIS 69 0.900 -11.900 38.114 19.870 -99.200 -91.000 HIS 76 0.900 -3.520 52.495 18.233 -99.200 -91.000 HIS 83 0.900 -18.168 46.209 22.891 -99.200 -91.000 HIS 106 0.900 -18.120 35.696 18.360 -99.200 -91.000